Equilin 3-Sulfate-d4 Sodium Salt (stabilized with TRIS, 50% w/w)
Product Code
TRC-E592822
CAS Number
Product Format
Neat
Molecular Formula
C18 2H4 H15 O5 S . Na
Molecular Weight
374.42
Product Categories
Unlabelled CAS Number
Price and availability
Documentation
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Product Information
Product Data
Analyte Name
Equilin 3-sulfate-d4 sodium salt
CAS Number
285979-81-9
Molecular Formula
C18 2H4 H15 O5 S . Na
Molecular Weight
374.42
Accurate Mass
374.1102
SMILES
[Na+].[2H]c1cc2[C@H]3CC[C@@]4(C)[C@@H](CC([2H])([2H])C4=O)C3=CCc2c([2H])c1OS(=O)(=O)[O-]
InChI
InChI=1S/C18H20O5S.Na/c1-18-9-8-14-13-5-3-12(23-24(20,21)22)10-11(13)2-4-15(14)16(18)6-7-17(18)19;/h3-5,10,14,16H,2,6-9H2,1H3,(H,20,21,22);/q;+1/p-1/t14-,16+,18+;/m1./s1/i3D,7D2,10D;
IUPAC
sodium;[(9S,13S,14S)-2,4,16,16-tetradeuterio-13-methyl-17-oxo-6,9,11,12,14,15-hexahydrocyclopenta[a]phenanthren-3-yl] sulfate
Unlabelled CAS Number
Salt: 16680-47-0
SIL Type
Deuterium
Storage & Transport Information
Storage Temperature
-20°C
Shipping Temperature
Room Temperature
Country of Origin
CANADA
Product Attributes
Product Type
Metabolite; Stable Isotope Labelled
Product Format
Neat
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